| SpectraBase Spectrum ID |
GL30uhSnU2e |
| Name |
1-Methyl-4-(p-tolylsulfonylmethyl)benzene |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
260.087100927 u |
| Formula |
C15H16O2S |
| InChI |
InChI=1S/C15H16O2S/c1-12-3-7-14(8-4-12)11-18(16,17)15-9-5-13(2)6-10-15/h3-10H,11H2,1-2H3 |
| InChIKey |
YPJOHDQJXCJQOH-UHFFFAOYSA-N |
| Molecular Weight |
260.351 g/mol |
| SMILES |
C=1(S(CC2=CC=C(C=C2)C)(=O)=O)C=CC(=CC1)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.891877 |
